SCHEMBL7040141

SCHEMBL7040141

CC1=C(CC(=O)O)c2cc(O)c(F)cc2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.34
RXRA P19793 4/20 0.33
AGBL2 Q5U5Z8 1/20 0.32
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MAPT P10636 4/20 0.30
TDP1 Q9NUW8 3/20 0.30
CYP1A2 P05177 3/20 0.30
MAPK1 P28482 3/20 0.30
PTGS2 P35354 2/20 0.30
EGFR P00533 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
DRD1 P21728 1/20 0.30
PTGS1 P23219 1/20 0.30
OPRM1 P35372 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8686339 0.89 PPARG (0.36) PPARGRXRAAGBL2MAPTTDP1
SCHEMBL11663434 0.82 LMNA (0.37) PPARGFFAR4TDP1MAPK1PTGDR2
SCHEMBL1387817 0.81 PPARG (0.49) PPARGRXRAMAPTTDP1CYP1A2
SCHEMBL9142278 0.79 AKR1B1 (0.45) PPARGPMP22LMNATSHRHPGD
SCHEMBL31288115 0.78 PPARG (0.49) PPARGRXRAMAPTTDP1CYP1A2
SCHEMBL11663913 0.77 METAP1 (0.42) PPARGMAPTCYP1A2PTGS2PTGDR2
SCHEMBL11662018 0.77 PTGS2 (0.34) PPARGRXRAPTGS2ALDH1A1ABCB11
SCHEMBL11662750 0.75 ABCB11 (0.38) PPARGFFAR1PTGS2PTGDR2KDM4E
SCHEMBL20409091 0.75 HSD17B10 (0.41) MAPTTDP1KDM4ETSHRHSD17B10
SCHEMBL11663761 0.75 PPARG (0.38) PPARGFFAR1TDP1PTGDR2APEX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003003012-A1 IDENTIFICATION OF INTERACTING MOLECULES MEDIMOLECULAR PTY. LTD. (AU) 2003-01-09 WO disclosed